UCSF

ZINC20358386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 37 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) 3.76 6.52 -57.3 3 9 1 114 523.484 9
Hi High (pH 8-9.5) 3.76 4.64 -40.99 1 9 -1 116 521.468 9
Mid Mid (pH 6-8) 3.76 4.18 -14.43 2 9 0 113 522.476 9
Mid Mid (pH 6-8) 3.76 6.98 -32.93 2 9 0 117 522.476 9

Activity (Go SEA)

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