UCSF

ZINC52273760

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 0.40 6.4 -102.23 3 4 2 41 241.379 4
Mid Mid (pH 6-8) 0.40 4.2 -38.15 2 4 1 40 240.371 4

Activity (Go SEA)

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