UCSF

ZINC34676317

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.53 10.51 -17.96 0 9 0 82 492.624 8
Mid Mid (pH 6-8) 1.53 12.72 -65.93 1 9 1 83 493.632 8

Activity (Go SEA)

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