UCSF

ZINC13652431

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 28 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) 2.26 12.75 -21.82 0 8 0 96 390.484 12
Mid Mid (pH 6-8) 2.26 13.24 -57.01 1 8 1 97 391.492 12

Activity (Go SEA)

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