UCSF

ZINC32533100

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 4.14 8.72 -42.1 3 4 1 41 283.399 4
Mid Mid (pH 6-8) 4.14 8.91 -81.1 4 4 2 43 284.407 4

Activity (Go SEA)

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