UCSF

ZINC30964251

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 34 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) 4.33 7.67 -10.79 2 8 0 83 484.984 8
Mid Mid (pH 6-8) 4.33 9.74 -46.48 3 8 1 84 485.992 8

Activity (Go SEA)

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