UCSF

ZINC04287395

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 14 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) 1.19 2.2 -7.01 3 4 0 68 194.234 4
Ref Reference (pH 7) 1.19 2.41 -6.32 3 4 0 68 194.234 4
Lo Low (pH 4.5-6) 1.19 2.24 -31.31 4 4 1 69 195.242 4
Lo Low (pH 4.5-6) 1.19 2.15 -33.83 4 4 1 69 195.242 4

Activity (Go SEA)

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