UCSF

ZINC36267677

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 18 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) 3.72 0.41 -54.39 4 4 1 74 281.279 4
Hi High (pH 8-9.5) 3.72 0.09 -7.06 3 4 0 72 280.271 4

Activity (Go SEA)

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