UCSF

ZINC44725244

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 19 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) 0.19 2.34 -54.73 3 6 1 81 284.361 8
Hi High (pH 8-9.5) 0.65 -1.65 -52.76 1 6 -1 79 282.345 8
Hi High (pH 8-9.5) 0.65 -0.3 -52.12 2 6 0 84 283.353 8

Activity (Go SEA)

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