UCSF

ZINC00612558

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 2.60 4.32 -58.17 0 6 -1 80 341.368 3
Mid Mid (pH 6-8) 2.60 3.85 -16.41 1 6 0 78 342.376 3
Mid Mid (pH 6-8) 2.60 4.8 -42.14 1 6 0 81 342.376 3

Activity (Go SEA)

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