UCSF

ZINC58704801

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2011 25 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) 4.59 8.91 -52.5 0 4 -1 61 365.459 4
Mid Mid (pH 6-8) 5.52 9.08 -14.51 1 4 0 62 366.467 3

Activity (Go SEA)

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