UCSF

ZINC43903789

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 3.71 10.23 -109.74 3 3 2 30 292.467 8
Mid Mid (pH 6-8) 3.71 9.28 -27.24 2 3 1 26 291.459 8
Mid Mid (pH 6-8) 3.71 8.35 -30.97 2 3 1 29 291.459 8

Activity (Go SEA)

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