UCSF

ZINC37027282

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.18 5.91 -7.31 3 3 0 55 260.381 4
Mid Mid (pH 6-8) 1.18 6.23 -43.38 4 3 1 57 261.389 4

Activity (Go SEA)

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