UCSF

ZINC23004572

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 28 No

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) 0.88 4.87 -31.02 3 7 0 96 384.411 4
Mid Mid (pH 6-8) 0.88 6.78 -60.68 4 7 1 97 385.419 4

Activity (Go SEA)

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