UCSF

ZINC41672562

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 2.74 6.1 -7.67 1 3 0 38 267.375 6
Mid Mid (pH 6-8) 2.74 7.09 -34.95 2 3 1 43 268.383 6

Activity (Go SEA)

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