UCSF

ZINC48325590

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 24 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) 0.04 -0.04 -50.75 0 8 -1 91 335.384 4
Mid Mid (pH 6-8) 0.04 1.95 -75.5 1 8 0 92 336.392 4
Lo Low (pH 4.5-6) 0.04 1.23 -53.36 2 8 1 89 337.4 4

Activity (Go SEA)

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