UCSF

ZINC13741814

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 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) 1.87 6.63 -43.58 4 4 1 54 241.384 9
Mid Mid (pH 6-8) 1.87 6.14 -17.68 3 4 0 53 240.376 9
Mid Mid (pH 6-8) 1.91 6.13 -24.6 3 4 0 55 240.376 8
Lo Low (pH 4.5-6) 1.91 6.21 -72.43 4 4 2 56 242.392 8

Activity (Go SEA)

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