UCSF

ZINC43401290

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) -0.43 1.78 -34.01 5 5 1 88 237.327 5
Mid Mid (pH 6-8) -0.43 2.75 -7.2 4 5 0 86 236.319 5
Lo Low (pH 4.5-6) -0.43 2.21 -84.6 6 5 2 89 238.335 5

Activity (Go SEA)

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