UCSF

ZINC13688950

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 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) 3.17 8.12 -17.76 1 7 0 69 422.529 6
Mid Mid (pH 6-8) 3.17 8.56 -38.85 2 7 1 70 423.537 6

Activity (Go SEA)

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