UCSF

ZINC10120241

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2007 31 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) 4.02 -4.17 -13.84 1 8 0 99 440.477 7
Hi High (pH 8-9.5) 4.02 -3.59 -43.68 0 8 -1 101 439.469 7

Activity (Go SEA)

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