UCSF

ZINC48580431

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 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) 3.76 6.93 -9.85 1 3 0 42 292.111 1
Mid Mid (pH 6-8) 3.76 6.51 -35.44 0 3 -1 40 291.103 1

Activity (Go SEA)

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