UCSF

ZINC36125492

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 28 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) 1.85 10.91 -14.29 1 7 0 76 378.432 7
Mid Mid (pH 6-8) 1.85 11.38 -31.34 2 7 1 78 379.44 7

Activity (Go SEA)

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