UCSF

ZINC31958871

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 1.55 4.63 -64.14 4 6 1 83 311.365 4
Mid Mid (pH 6-8) 1.55 4.24 -19.07 3 6 0 82 310.357 4
Mid Mid (pH 6-8) 1.55 5.05 -95.1 5 6 2 85 312.373 4
Mid Mid (pH 6-8) 1.55 4.76 -31.78 4 6 1 83 311.365 4

Activity (Go SEA)

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