UCSF

ZINC44618971

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 0.41 8.86 -45.43 0 5 -1 69 236.295 6
Mid Mid (pH 6-8) 0.41 9.24 -49.16 1 5 0 70 237.303 6

Activity (Go SEA)

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