UCSF

ZINC19359761

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 26 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) 0.80 4.95 -44.68 2 7 1 66 361.466 7
Hi High (pH 8-9.5) 0.80 2.59 -12.53 1 7 0 65 360.458 7
Mid Mid (pH 6-8) 0.80 4.84 -47.59 2 7 1 66 361.466 7

Activity (Go SEA)

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