UCSF

ZINC03641626

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 15 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) 0.72 1.51 -8.17 2 6 0 87 203.205 2
Lo Low (pH 4.5-6) 0.72 1.97 -39.24 3 6 1 88 204.213 2

Activity (Go SEA)

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