UCSF

ZINC37013758

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 1.28 3.05 -43.93 4 5 1 83 257.697 4
Hi High (pH 8-9.5) 1.28 2.73 -6.34 3 5 0 81 256.689 4

Activity (Go SEA)

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