UCSF

ZINC45685367

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.63 3.49 -1.29 2 3 0 38 254.418 1
Mid Mid (pH 6-8) 2.64 5.73 -121.99 4 3 2 41 256.434 1
Lo Low (pH 4.5-6) 2.63 5.48 -31.27 3 3 1 40 255.426 1

Activity (Go SEA)

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