UCSF

ZINC06146904

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 27 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) 1.82 4.78 -62.78 1 7 -1 98 406.509 8
Mid Mid (pH 6-8) 1.82 4.77 -22.47 2 7 0 96 407.517 8

Activity (Go SEA)

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