UCSF

ZINC45685910

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 2.42 6.94 -42.3 2 4 1 56 279.385 7
Mid Mid (pH 6-8) 2.42 5.75 -8.85 1 4 0 51 278.377 7

Activity (Go SEA)

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