UCSF

ZINC36273132

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.01 9.98 -38.95 3 4 1 48 374.306 5
Mid Mid (pH 6-8) 4.01 8.93 -8.26 2 4 0 47 373.298 5
Lo Low (pH 4.5-6) 4.01 10.33 -89 4 4 2 49 375.314 5

Activity (Go SEA)

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