UCSF

ZINC05392693

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 18 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) 2.88 -4.51 -9.61 1 4 0 59 302.808 3
Hi High (pH 8-9.5) 2.88 -3.95 -38.92 0 4 -1 61 301.8 3

Activity (Go SEA)

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