UCSF

ZINC13531693

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 17 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) 3.23 8.34 -78.91 5 3 2 58 239.407 11
Mid Mid (pH 6-8) 3.23 7.85 -45.53 4 3 1 56 238.399 11

Activity (Go SEA)

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