UCSF

ZINC69981151

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 24 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) 3.28 10.93 -11.97 0 4 0 36 341.48 3
Lo Low (pH 4.5-6) 3.28 11.23 -31.7 1 4 1 38 342.488 3

Activity (Go SEA)

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