UCSF

ZINC34675543

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 35 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) 4.07 13.28 -58.08 1 6 1 54 476.572 7
Mid Mid (pH 6-8) 4.07 10.93 -22.38 0 6 0 53 475.564 7

Activity (Go SEA)

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