UCSF

ZINC36191735

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 0.27 2.55 -79.33 4 4 2 45 243.395 6
Hi High (pH 8-9.5) 0.27 2.76 -40.01 3 4 1 47 242.387 6
Lo Low (pH 4.5-6) 0.27 4.81 -175.89 5 4 3 46 244.403 6

Activity (Go SEA)

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