UCSF

ZINC07843585

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2006 20 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) 1.73 4.29 -15.34 2 5 0 63 291.376 6
Lo Low (pH 4.5-6) 1.73 4.64 -32.82 3 5 1 64 292.384 6
Lo Low (pH 4.5-6) 2.25 1.53 -34.73 3 5 1 68 292.384 6

Activity (Go SEA)

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