UCSF

ZINC32269684

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 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) 3.18 6.29 -9.17 1 4 0 42 318.461 6
Mid Mid (pH 6-8) 3.18 8.37 -45.3 2 4 1 43 319.469 6

Activity (Go SEA)

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