UCSF

ZINC21046752

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 20 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) 3.53 7.3 -39.84 2 3 1 33 279.448 5
Mid Mid (pH 6-8) 3.53 9.48 -127.97 3 3 2 34 280.456 5

Activity (Go SEA)

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