UCSF

ZINC13618645

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 25 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) 5.64 9.03 -39.28 0 4 -1 53 414.304 6
Ref Reference (pH 7) 6.13 9.59 -8.12 1 4 0 54 415.312 5

Activity (Go SEA)

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