UCSF

ZINC34678557

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 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) 1.41 7.95 -53.3 3 9 1 101 473.573 10
Hi High (pH 8-9.5) 1.59 5.55 -46.33 2 9 0 107 472.565 10

Activity (Go SEA)

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