UCSF

ZINC23292887

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 27 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) 7.30 14.48 -10.29 0 1 0 13 367.517 1
Mid Mid (pH 6-8) 7.30 14.86 -22.11 1 1 1 14 368.525 1

Activity (Go SEA)

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