UCSF

ZINC01286748

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 23 No

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) 6.12 10 -7.99 1 3 0 45 342.851 2
Mid Mid (pH 6-8) 5.63 10.04 -41.49 0 3 -1 44 341.843 3
Lo Low (pH 4.5-6) 5.63 10.23 -13.04 1 3 0 42 342.851 3

Activity (Go SEA)

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