UCSF

ZINC36152439

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 No

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) -2.66 1.48 -380.76 2 14 -4 232 461.128 8
Mid Mid (pH 6-8) -2.66 0.33 -243.22 3 14 -3 229 462.136 8

Activity (Go SEA)

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