UCSF

ZINC35021430

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 14 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) 0.59 1.91 -7.51 0 4 0 43 195.218 3
Mid Mid (pH 6-8) 0.59 4.12 -35.98 1 4 1 44 196.226 3

Activity (Go SEA)

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