UCSF

ZINC13550921

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 30 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) 1.84 3.74 -20.7 3 8 0 112 406.442 6
Ref Reference (pH 7) 1.66 6.19 -19.4 3 8 0 108 406.442 6

Activity (Go SEA)

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