UCSF

ZINC42580602

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 3.54 7.42 -31.04 2 2 1 16 239.427 4
Mid Mid (pH 6-8) 3.54 6.81 -34.8 2 2 1 20 239.427 4
Mid Mid (pH 6-8) 3.54 8.6 -102.1 3 2 2 21 240.435 4

Activity (Go SEA)

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