UCSF

ZINC34937931

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) 1.05 4.22 -13.34 1 5 0 59 242.319 5
Mid Mid (pH 6-8) 1.05 5.43 -45.14 2 5 1 63 243.327 5

Activity (Go SEA)

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