UCSF

ZINC37049324

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 2.53 6.35 -84.11 4 3 2 35 257.466 10
Hi High (pH 8-9.5) 2.53 4.09 -41.18 3 3 1 34 256.458 10
Hi High (pH 8-9.5) 2.53 6.35 -90.47 4 3 2 35 257.466 10

Activity (Go SEA)

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