UCSF

ZINC16444814

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 23 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) 2.95 7.34 -45.17 2 5 1 52 315.393 7
Hi High (pH 8-9.5) 2.95 5 -13.73 1 5 0 51 314.385 7

Activity (Go SEA)

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