UCSF

ZINC20967659

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 17 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) 2.59 5.93 -37.34 2 3 1 26 302.236 7
Mid Mid (pH 6-8) 2.59 4.86 -47.3 2 3 1 29 302.236 7

Activity (Go SEA)

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