UCSF

ZINC34891622

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 33 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) 4.54 7.11 -49.65 1 9 -1 128 460.495 7
Lo Low (pH 4.5-6) 4.54 7.67 -17.42 2 9 0 126 461.503 7

Activity (Go SEA)

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