UCSF

ZINC50822124

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2010 23 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) 1.53 9.2 -20.96 0 5 0 66 307.353 6
Lo Low (pH 4.5-6) 1.53 9.66 -46.61 1 5 1 67 308.361 6

Activity (Go SEA)

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