UCSF

ZINC34979795

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 3.41 10.39 -17.29 0 3 0 35 315.17 3
Lo Low (pH 4.5-6) 3.41 10.86 -40.11 1 3 1 36 316.178 3

Activity (Go SEA)

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