UCSF

ZINC23368559

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 24 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) 3.48 9.75 -43.37 1 3 1 17 333.471 6
Hi High (pH 8-9.5) 3.48 7.25 -4.03 0 3 0 16 332.463 6
Mid Mid (pH 6-8) 3.48 9.18 -36.11 1 3 1 17 333.471 6

Activity (Go SEA)

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