UCSF

ZINC37248691

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 15 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) 2.11 5.16 -35.89 2 3 1 30 274.182 3
Mid Mid (pH 6-8) 2.11 3.97 -41.84 2 3 1 33 274.182 3
Lo Low (pH 4.5-6) 2.11 6.35 -106.96 3 3 2 34 275.19 3

Activity (Go SEA)

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