UCSF

ZINC45689606

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 13 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) 2.42 4.51 -28.29 2 2 1 20 187.351 7
Mid Mid (pH 6-8) 2.42 6.64 -101.44 3 2 2 21 188.359 7
Mid Mid (pH 6-8) 2.42 6.21 -27.47 2 2 1 16 187.351 7

Activity (Go SEA)

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