UCSF

ZINC45076675

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 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) 3.44 8.37 -51.63 3 5 1 63 407.321 6
Mid Mid (pH 6-8) 3.44 6.09 -11.19 2 5 0 61 406.313 6

Activity (Go SEA)

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