UCSF

ZINC08111371

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2006 24 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) 2.98 -7.87 -18.38 3 6 0 106 368.48 4
Hi High (pH 8-9.5) 2.98 -7.35 -49.97 2 6 -1 108 367.472 4

Activity (Go SEA)

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