UCSF

ZINC37506931

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 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) 2.33 8.91 -11.61 0 4 0 38 348.244 5
Lo Low (pH 4.5-6) 2.33 9.26 -36.58 1 4 1 39 349.252 5

Activity (Go SEA)

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