UCSF

ZINC34685986

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 1.84 6.57 -14.46 0 7 0 66 451.445 5
Lo Low (pH 4.5-6) 1.84 8.83 -53.98 1 7 1 67 452.453 5

Activity (Go SEA)

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