UCSF

ZINC40150948

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 32 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) 3.95 8.38 -18.02 1 7 0 86 431.402 4
Hi High (pH 8-9.5) 4.02 6.46 -35.45 0 7 -1 92 430.394 4

Activity (Go SEA)

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