UCSF

ZINC06623362

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 23 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) 2.70 2.58 -52.36 2 7 -1 102 353.449 7
Mid Mid (pH 6-8) 3.63 3.14 -19.3 3 7 0 103 354.457 6

Activity (Go SEA)

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