UCSF

ZINC22010623

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 29 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) 4.13 10.28 -51.33 2 6 1 65 412.535 8
Hi High (pH 8-9.5) 4.13 7.95 -15.56 1 6 0 64 411.527 8
Mid Mid (pH 6-8) 3.95 9.21 -36.47 1 6 0 71 411.527 8

Activity (Go SEA)

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