UCSF

ZINC13059507

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2008 22 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) 2.50 3.69 -107.91 1 7 -2 126 319.294 5
Hi High (pH 8-9.5) 2.50 3.76 -170.53 0 7 -3 128 318.286 5

Activity (Go SEA)

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