UCSF

ZINC27985636

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 33 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) 4.95 13.76 -7.06 0 4 0 37 442.534 4
Mid Mid (pH 6-8) 4.95 15.31 -42.93 1 4 1 38 443.542 4

Activity (Go SEA)

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