UCSF

ZINC41684711

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 1.00 1.63 -42.61 3 6 1 83 308.449 7
Mid Mid (pH 6-8) 1.46 -0.94 -59.23 2 6 0 87 307.441 7

Activity (Go SEA)

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