UCSF

ZINC33805200

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 16 No

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) 4.58 8.72 -28.84 1 1 1 14 254.444 3
Mid Mid (pH 6-8) 4.58 8.28 -20.54 1 1 0 14 253.436 3
Mid Mid (pH 6-8) 4.58 9.11 -15.28 1 1 0 14 253.436 3

Activity (Go SEA)

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