UCSF

ZINC21289622

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 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) 2.71 5.99 -55.93 1 7 -1 103 405.456 6
Hi High (pH 8-9.5) 2.78 5.11 -113.76 0 7 -2 109 404.448 6
Mid Mid (pH 6-8) 2.71 6.02 -21.26 2 7 0 101 406.464 6

Activity (Go SEA)

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