UCSF

ZINC08770231

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 27 No

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) 4.71 11.25 -20.03 2 3 0 45 362.448 5
Mid Mid (pH 6-8) 4.50 -1.05 -50.72 2 3 1 46 363.456 4
Mid Mid (pH 6-8) 5.24 10.36 -46.7 1 3 -1 51 361.44 4

Activity (Go SEA)

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