UCSF

ZINC37814981

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 4.14 7.84 -52.66 3 3 1 48 354.312 5
Mid Mid (pH 6-8) 4.14 8.02 -7.7 2 3 0 46 353.304 5

Activity (Go SEA)

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