UCSF

ZINC44685002

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 2.84 6.97 -33.43 2 2 1 16 302.261 4
Hi High (pH 8-9.5) 2.84 4.52 -2.84 1 2 0 15 301.253 4

Activity (Go SEA)

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