UCSF

ZINC36301587

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) -0.31 1.34 -47.7 2 5 1 49 256.37 3
Mid Mid (pH 6-8) -0.31 3.41 -107.59 3 5 2 51 257.378 3

Activity (Go SEA)

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