UCSF

ZINC58050725

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2011 27 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) 3.37 6.57 -18.76 2 6 0 78 384.505 6
Mid Mid (pH 6-8) 3.37 8.8 -59.65 3 6 1 79 385.513 6

Activity (Go SEA)

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