UCSF

ZINC22078396

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 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) 2.58 7.54 -31.12 1 2 1 8 267.343 2
Hi High (pH 8-9.5) 2.58 5.37 -4.13 0 2 0 6 266.335 2

Activity (Go SEA)

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