UCSF

ZINC36991817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 3.93 11.28 -49.37 2 2 1 40 279.407 6
Mid Mid (pH 6-8) 3.93 10.55 -5.19 1 2 0 36 278.399 6

Activity (Go SEA)

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