UCSF

ZINC05431122

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 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) 4.95 10.38 -8.29 0 4 0 48 311.381 8
Lo Low (pH 4.5-6) 4.95 10.04 -43.45 1 4 1 50 312.389 8
Lo Low (pH 4.5-6) 4.95 10.72 -40.85 1 4 1 50 312.389 8

Activity (Go SEA)

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