UCSF

ZINC22935537

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 30 No

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) 2.86 8 -54.23 1 6 1 56 411.453 4
Mid Mid (pH 6-8) 2.86 5.16 -8.82 0 6 0 55 410.445 4
Lo Low (pH 4.5-6) 2.86 7.42 -50.21 1 6 1 56 411.453 4

Activity (Go SEA)

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