UCSF

ZINC45658336

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 0.79 4.98 -93.05 4 3 2 35 215.385 5
Hi High (pH 8-9.5) 0.79 0.9 -41.01 3 3 1 34 214.377 5
Hi High (pH 8-9.5) 0.79 2.53 -31.03 3 3 1 34 214.377 5
Mid Mid (pH 6-8) 0.79 2.26 -116.74 4 3 2 35 215.385 5
Mid Mid (pH 6-8) 0.79 3.28 -100.67 4 3 2 35 215.385 5
Lo Low (pH 4.5-6) 0.79 4.82 -211.39 5 3 3 37 216.393 5

Activity (Go SEA)

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