UCSF

ZINC53341497

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.00 3.62 -30.28 2 3 1 26 201.334 6
Mid Mid (pH 6-8) 1.00 5.03 -106.24 3 3 2 30 202.342 6
Mid Mid (pH 6-8) 1.00 2.93 -35.48 2 3 1 29 201.334 6

Activity (Go SEA)

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