UCSF

ZINC37142583

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 1.76 6.54 -41.04 2 4 1 37 282.452 4
Mid Mid (pH 6-8) 1.76 5.32 -47.61 2 4 1 40 282.452 4
Lo Low (pH 4.5-6) 1.76 7.55 -117.21 3 4 2 41 283.46 4

Activity (Go SEA)

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