UCSF

ZINC36803990

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 15 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) 0.84 3.05 -10.74 1 4 0 54 204.229 4
Mid Mid (pH 6-8) 0.84 4.41 -62.45 2 4 1 59 205.237 4

Activity (Go SEA)

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