UCSF

ZINC34993404

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 4.57 11.35 -31.06 2 1 1 17 306.832 6
Mid Mid (pH 6-8) 4.57 11.03 -2.63 1 1 0 12 305.824 6

Activity (Go SEA)

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