UCSF

ZINC19815439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 21 Yes

Other Names:

MFCD01928051

Download: MOL2 SDF SMILES Flexibase

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) 0.21 6.5 -84.87 3 6 2 54 293.415 5
Hi High (pH 8-9.5) 0.21 1.49 -13.2 1 6 0 52 291.399 5
Mid Mid (pH 6-8) 0.21 4.03 -48.6 2 6 1 53 292.407 5

Activity (Go SEA)

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