UCSF

ZINC34847355

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 37 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) 2.08 9.2 -18.35 0 9 0 85 505.571 10
Mid Mid (pH 6-8) 2.08 11.47 -61.52 1 9 1 86 506.579 10

Activity (Go SEA)

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