UCSF

ZINC44685342

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 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) 3.53 7.31 -36.18 2 2 1 20 251.438 5
Mid Mid (pH 6-8) 3.53 8.68 -29.42 2 2 1 16 251.438 5
Mid Mid (pH 6-8) 3.53 9.7 -108.36 3 2 2 21 252.446 5

Activity (Go SEA)

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