UCSF

ZINC36353128

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 27 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) 1.31 4.31 -46.95 0 8 -1 94 387.441 4
Mid Mid (pH 6-8) 1.31 4.68 -28.89 1 8 0 95 388.449 4
Lo Low (pH 4.5-6) 1.31 4.31 -14.99 1 8 0 92 388.449 4

Activity (Go SEA)

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