UCSF

ZINC04478262

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 26 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) 6.65 8.65 -6.29 2 3 0 45 391.342 4
Hi High (pH 8-9.5) 6.65 8.59 -7.94 2 3 0 45 391.342 4
Mid Mid (pH 6-8) 6.65 9.89 -47.88 3 3 1 49 392.35 4

Activity (Go SEA)

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