UCSF

ZINC34936390

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 22 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) 0.27 8.26 -59.26 1 8 0 111 307.306 5
Mid Mid (pH 6-8) 0.27 6.05 -48.37 0 8 -1 109 306.298 5

Activity (Go SEA)

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