UCSF

ZINC36139319

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 22 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) 1.57 4.34 -14.33 1 5 0 68 292.342 3
Mid Mid (pH 6-8) 1.64 2.11 -37.26 2 5 1 73 293.35 3
Mid Mid (pH 6-8) 1.64 3.09 -38.72 2 5 1 73 293.35 3
Lo Low (pH 4.5-6) 1.58 4.74 -45.31 2 5 1 69 293.35 3

Activity (Go SEA)

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