UCSF

ZINC09971134

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 34 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) 3.98 11.68 -15.8 1 6 0 67 493.032 6
Lo Low (pH 4.5-6) 3.98 12.15 -48.07 2 6 1 68 494.04 6

Activity (Go SEA)

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