UCSF

ZINC62951407

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 1.86 6.81 -28.95 3 3 1 43 262.421 4
Mid Mid (pH 6-8) 1.86 5.28 -43.64 3 3 1 44 262.421 4
Lo Low (pH 4.5-6) 1.86 5.41 -106.61 4 3 2 45 263.429 4

Activity (Go SEA)

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