UCSF

ZINC19679926

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 15 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) 1.52 5.66 -49.08 2 3 1 37 211.329 1
Hi High (pH 8-9.5) 1.52 4.2 -6.48 1 3 0 32 210.321 1

Activity (Go SEA)

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