UCSF

ZINC53132860

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 3.87 8.19 -6.86 1 4 0 51 284.407 6
Mid Mid (pH 6-8) 3.87 8.48 -30.07 2 4 1 52 285.415 6
Lo Low (pH 4.5-6) 3.87 8.95 -80.65 3 4 2 53 286.423 6

Activity (Go SEA)

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