UCSF

ZINC16097019

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2008 30 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) 4.53 5.55 -15.4 2 6 0 92 452.504 6
Hi High (pH 8-9.5) 4.53 5.63 -53.43 1 6 -1 94 451.496 6
Hi High (pH 8-9.5) 4.53 5.65 -44.9 1 6 -1 94 451.496 6
Hi High (pH 8-9.5) 4.53 5.73 -106.29 0 6 -2 96 450.488 6

Activity (Go SEA)

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