UCSF

ZINC61994268

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 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) 2.64 6.59 -34.86 2 3 1 29 263.405 8
Mid Mid (pH 6-8) 2.64 7.5 -31.39 2 3 1 26 263.405 8
Mid Mid (pH 6-8) 2.64 8.88 -107.89 3 3 2 30 264.413 8

Activity (Go SEA)

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