UCSF

ZINC45321442

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 27 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) 3.09 7.26 -16.24 0 6 0 58 390.915 3
Mid Mid (pH 6-8) 3.09 9.36 -55.67 1 6 1 60 391.923 3

Activity (Go SEA)

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