UCSF

ZINC19708464

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 22 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) 2.29 7.23 -38.99 1 5 1 35 309.43 7
Hi High (pH 8-9.5) 2.29 4.76 -7.98 0 5 0 34 308.422 7
Mid Mid (pH 6-8) 2.29 6.83 -36.21 1 5 1 35 309.43 7

Activity (Go SEA)

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