UCSF

ZINC12343525

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2008 17 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) 1.43 1.22 -5.06 1 4 0 42 243.347 5
Mid Mid (pH 6-8) 1.43 3.62 -40.44 2 4 1 43 244.355 5

Activity (Go SEA)

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