UCSF

ZINC36208768

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 Yes

CAS Number: 13589-07-6

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) -2.79 3.26 -101.93 6 7 1 127 255.298 6
Hi High (pH 8-9.5) -2.79 2.43 -62.77 4 7 -1 124 253.282 6
Mid Mid (pH 6-8) -2.79 2.73 -69.64 5 7 0 126 254.29 6

Activity (Go SEA)

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