UCSF

ZINC08606657

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2007 35 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.48 6.04 -15.42 2 9 0 110 472.501 7
Hi High (pH 8-9.5) 2.46 7.17 -63.71 0 9 -1 109 471.493 7
Hi High (pH 8-9.5) 2.46 6.48 -50.26 0 9 -1 109 471.493 7
Hi High (pH 8-9.5) 2.48 6.81 -41.1 1 9 -1 113 471.493 7
Mid Mid (pH 6-8) 2.48 6.98 -55.22 1 9 -1 113 471.493 7
Lo Low (pH 4.5-6) 2.48 6.67 -42.23 3 9 1 111 473.509 7
Lo Low (pH 4.5-6) 2.48 6.51 -39.36 3 9 1 111 473.509 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )