UCSF

ZINC21031034

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 13 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) 1.53 4.44 -31.04 2 3 1 35 181.259 6
Mid Mid (pH 6-8) 1.53 3.98 -5.47 1 3 0 34 180.251 6

Activity (Go SEA)

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