UCSF

ZINC32536592

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 24 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) 1.91 1.77 -17.51 1 6 0 90 375.512 6
Mid Mid (pH 6-8) 1.91 3.12 -53.42 2 6 1 94 376.52 6

Activity (Go SEA)

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