UCSF

ZINC09692034

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 20 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) 3.42 6.56 -14.64 1 4 0 63 308.428 3
Mid Mid (pH 6-8) 3.87 5.19 -47.13 0 4 -1 66 307.42 3

Activity (Go SEA)

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