UCSF

ZINC34327814

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 9 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) 2.32 1.84 -34.27 0 2 -1 36 251.885 0
Hi High (pH 8-9.5) 2.32 2.29 -23.16 1 2 0 37 252.893 0
Mid Mid (pH 6-8) 2.32 1.09 -4.99 1 2 0 33 252.893 0

Activity (Go SEA)

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