UCSF

ZINC37846505

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 3.20 6.34 -48.28 3 3 1 40 291.459 9
Mid Mid (pH 6-8) 3.20 7.51 -30.42 3 3 1 40 291.459 9
Mid Mid (pH 6-8) 3.20 7.97 -126.12 4 3 2 41 292.467 9

Activity (Go SEA)

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