UCSF

ZINC15936882

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 34 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) 1.05 6.5 -57.53 2 11 1 156 503.538 8
Hi High (pH 8-9.5) 1.05 6.55 -23.94 1 11 0 154 502.53 8
Lo Low (pH 4.5-6) 1.05 6.49 -121.82 3 11 2 157 504.546 8

Activity (Go SEA)

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