UCSF

ZINC21294885

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 23 No

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) 2.52 6.57 -21.01 1 7 0 91 332.385 4
Hi High (pH 8-9.5) 2.58 5.46 -46.21 0 7 -1 97 331.377 4
Mid Mid (pH 6-8) 2.52 8.85 -54.73 2 7 1 92 333.393 4

Activity (Go SEA)

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