UCSF

ZINC35765654

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 17 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) 3.86 7.34 -115.76 4 2 2 32 242.451 8
Mid Mid (pH 6-8) 3.86 4.97 -41.16 3 2 1 31 241.443 8
Mid Mid (pH 6-8) 3.86 7.01 -26.63 3 2 1 30 241.443 8

Activity (Go SEA)

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