UCSF

ZINC37477452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 16 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) 0.86 4.3 -42.94 3 4 1 58 217.296 4
Hi High (pH 8-9.5) 0.86 3.11 -6.75 2 4 0 54 216.288 4
Hi High (pH 8-9.5) 0.86 3.12 -7.7 2 4 0 54 216.288 4

Activity (Go SEA)

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