UCSF

ZINC40118610

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 30 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) 1.64 8.12 -47.7 2 8 1 77 415.514 8
Hi High (pH 8-9.5) 1.64 5.89 -12.1 1 8 0 76 414.506 8
Mid Mid (pH 6-8) 1.64 8.43 -109.27 3 8 2 79 416.522 8
Mid Mid (pH 6-8) 1.64 6.21 -43.75 2 8 1 77 415.514 8

Activity (Go SEA)

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