UCSF

ZINC37024547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 11 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) 1.21 2.2 -30.17 3 3 1 49 153.205 3
Mid Mid (pH 6-8) 1.21 1.75 -4.45 2 3 0 48 152.197 3

Activity (Go SEA)

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