UCSF

ZINC41676403

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 2.32 7.06 -38.29 2 3 1 29 242.412 7
Lo Low (pH 4.5-6) 2.32 7.5 -74.62 3 3 2 31 243.42 7

Activity (Go SEA)

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