UCSF

ZINC19855387

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 27 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) 4.25 8.86 -19.57 1 5 0 50 382.895 5
Mid Mid (pH 6-8) 4.25 11.17 -58.39 2 5 1 51 383.903 5
Mid Mid (pH 6-8) 4.25 9.27 -32.89 2 5 1 51 383.903 5
Lo Low (pH 4.5-6) 4.25 11.58 -113.32 3 5 2 53 384.911 5

Activity (Go SEA)

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