UCSF

ZINC06352188

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 20 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) 4.46 -4.02 -10.3 1 4 0 59 375.313 4
Hi High (pH 8-9.5) 4.46 -3.46 -43.71 0 4 -1 61 374.305 4

Activity (Go SEA)

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