UCSF

ZINC13735195

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 25 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) 4.07 6.79 -19.5 2 6 0 87 368.443 2
Ref Reference (pH 7) 3.14 7.6 -23.48 2 6 0 84 368.443 3

Activity (Go SEA)

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