UCSF

ZINC22041525

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 27 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) 3.40 7.9 -41.96 2 4 1 37 385.553 5
Mid Mid (pH 6-8) 3.40 5.64 -7.41 1 4 0 36 384.545 5
Mid Mid (pH 6-8) 3.40 7.09 -37.67 2 4 1 37 385.553 5

Activity (Go SEA)

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