UCSF

ZINC45689798

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 2.64 5.96 -35.58 2 3 1 29 251.394 8
Mid Mid (pH 6-8) 2.64 8 -31.46 2 3 1 26 251.394 8
Lo Low (pH 4.5-6) 2.64 8 -112.51 3 3 2 30 252.402 8

Activity (Go SEA)

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