UCSF

ZINC22455630

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 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) 3.41 10.18 -104.97 2 2 2 9 242.451 7
Mid Mid (pH 6-8) 3.41 8.34 -31.36 1 2 1 8 241.443 7

Activity (Go SEA)

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