UCSF

ZINC42915645

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 2.49 5.34 -109.88 4 3 2 41 284.419 8
Mid Mid (pH 6-8) 2.49 4.53 -43.08 3 3 1 40 283.411 8
Mid Mid (pH 6-8) 2.49 5.02 -29.04 3 3 1 40 283.411 8

Activity (Go SEA)

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