UCSF

ZINC16097097

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) 3.51 3.3 -17.84 2 8 0 111 448.522 8
Hi High (pH 8-9.5) 3.51 3.4 -50.87 1 8 -1 113 447.514 8
Hi High (pH 8-9.5) 3.51 3.38 -50.76 1 8 -1 113 447.514 8
Hi High (pH 8-9.5) 3.51 3.48 -105.27 0 8 -2 115 446.506 8

Activity (Go SEA)

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