UCSF

ZINC44610284

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 21 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) 1.16 2.21 -11.4 1 7 0 71 301.276 5
Mid Mid (pH 6-8) 1.16 4.64 -55.85 2 7 1 72 302.284 5

Activity (Go SEA)

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