UCSF

ZINC20306287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 13 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) 1.83 5.03 -34.74 2 2 1 29 199.343 4
Hi High (pH 8-9.5) 1.83 3.74 -4.85 1 2 0 25 198.335 4

Activity (Go SEA)

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