UCSF

ZINC36768832

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 3.03 5.1 -7.53 2 3 0 48 254.742 2
Mid Mid (pH 6-8) 2.52 5.39 -5.74 2 3 0 49 254.742 2
Lo Low (pH 4.5-6) 3.03 5.19 -27.66 3 3 1 49 255.75 2

Activity (Go SEA)

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