UCSF

ZINC12322651

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 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) 3.85 0.12 -15.98 0 6 0 69 382.47 3
Lo Low (pH 4.5-6) 3.85 -0.19 -30.35 1 6 1 71 383.478 3

Activity (Go SEA)

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