UCSF

ZINC34830019

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 36 No

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) 3.40 14.7 -65.18 1 8 1 91 505.62 6
Mid Mid (pH 6-8) 3.40 12.93 -23.46 0 8 0 90 504.612 6

Activity (Go SEA)

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