UCSF

ZINC00548340

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 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) 4.85 9.85 -12.3 1 4 0 50 319.408 3
Hi High (pH 8-9.5) 4.85 9.42 -43.72 0 4 -1 53 318.4 3
Hi High (pH 8-9.5) 4.85 10.63 -57.06 0 4 -1 53 318.4 3
Mid Mid (pH 6-8) 4.85 9.15 -33.54 2 4 1 52 320.416 3
Mid Mid (pH 6-8) 4.85 10.34 -33.26 2 4 1 52 320.416 3

Activity (Go SEA)

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