UCSF

ZINC34676340

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 35 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) 1.18 6.07 -22.89 1 10 0 100 482.585 8
Mid Mid (pH 6-8) 1.18 8.35 -56.57 2 10 1 101 483.593 8

Activity (Go SEA)

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