UCSF

ZINC34681512

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 29 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) 2.69 6.72 -12.03 1 7 0 67 396.491 7
Mid Mid (pH 6-8) 2.69 8.96 -40.27 2 7 1 68 397.499 7
Mid Mid (pH 6-8) 2.69 7.04 -34.61 2 7 1 68 397.499 7
Lo Low (pH 4.5-6) 2.69 9.3 -96.66 3 7 2 69 398.507 7

Activity (Go SEA)

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