UCSF

ZINC32519451

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 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) 1.82 4.64 -35.55 2 3 1 28 255.426 5
Mid Mid (pH 6-8) 1.82 4.69 -35.64 2 3 1 28 255.426 5
Mid Mid (pH 6-8) 1.82 6.9 -106.97 3 3 2 29 256.434 5

Activity (Go SEA)

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