UCSF

ZINC12843721

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 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) 4.27 10.49 -8.16 1 4 0 54 378.284 4
Ref Reference (pH 7) 4.27 10.53 -8.22 1 4 0 54 378.284 4
Hi High (pH 8-9.5) 4.81 9.44 -39.99 0 4 -1 56 377.276 5

Activity (Go SEA)

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