UCSF

ZINC36677545

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.97 5.18 -43.95 3 2 1 31 221.368 6
Hi High (pH 8-9.5) 1.97 6.52 -31.19 3 2 1 30 221.368 6

Activity (Go SEA)

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