UCSF

ZINC34678940

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 35 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) 1.40 7.86 -18.1 2 9 0 109 474.565 8
Lo Low (pH 4.5-6) 1.40 8.33 -50.6 3 9 1 110 475.573 8

Activity (Go SEA)

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