UCSF

ZINC34676306

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 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) 0.70 5.72 -26.03 1 9 0 91 456.522 6
Mid Mid (pH 6-8) 0.70 8.07 -64.3 2 9 1 92 457.53 6

Activity (Go SEA)

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