UCSF

ZINC31977323

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) 0.31 1.84 -41.17 2 5 1 54 223.3 3
Mid Mid (pH 6-8) 0.31 -0.53 -9.03 1 5 0 52 222.292 3

Activity (Go SEA)

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