UCSF

ZINC35083146

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) 0.93 6.45 -59.87 0 5 -1 64 267.349 4
Mid Mid (pH 6-8) 0.93 8.67 -75.01 1 5 0 65 268.357 4
Lo Low (pH 4.5-6) 0.93 6.2 -50.34 2 5 1 62 269.365 4

Activity (Go SEA)

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