UCSF

ZINC05042666

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 21 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) 3.72 7.98 -11.16 1 4 0 63 302.399 4
Hi High (pH 8-9.5) 4.18 5.99 -47.13 0 4 -1 66 301.391 4
Mid Mid (pH 6-8) 3.72 7.39 -18.41 1 4 0 63 302.399 4

Activity (Go SEA)

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