UCSF

ZINC42902459

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 0.47 0.09 -47.21 4 4 1 60 253.366 7
Mid Mid (pH 6-8) 0.47 2.76 -117.75 5 4 2 62 254.374 7
Mid Mid (pH 6-8) 0.47 2.41 -36.02 4 4 1 60 253.366 7

Activity (Go SEA)

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