UCSF

ZINC32128023

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 3.46 9.82 -43.04 2 2 1 25 282.407 4
Mid Mid (pH 6-8) 3.46 7.44 -4.98 1 2 0 23 281.399 4

Activity (Go SEA)

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