UCSF

ZINC34668194

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 30 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) 2.28 4.69 -10.37 1 7 0 74 405.502 6
Mid Mid (pH 6-8) 2.28 6.95 -49.6 2 7 1 76 406.51 6
Lo Low (pH 4.5-6) 2.28 7.42 -94.69 3 7 2 77 407.518 6

Activity (Go SEA)

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