UCSF

ZINC32112757

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 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) 2.62 6.69 -49.82 2 3 1 39 263.748 6
Mid Mid (pH 6-8) 2.62 5.21 -7.42 1 3 0 34 262.74 6

Activity (Go SEA)

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