UCSF

ZINC20265387

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 32 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) 2.42 5.87 -59.26 0 8 -1 95 439.488 9
Mid Mid (pH 6-8) 2.42 8.22 -69.4 1 8 0 96 440.496 9
Lo Low (pH 4.5-6) 2.42 7.4 -49.03 2 8 1 94 441.504 9

Activity (Go SEA)

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