UCSF

ZINC34681502

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 3.88 7.67 -11.83 2 6 0 69 402.498 5
Mid Mid (pH 6-8) 3.88 9.9 -43.76 3 6 1 70 403.506 5

Activity (Go SEA)

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