UCSF

ZINC34556666

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 31 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) 4.03 11.82 -64.71 2 5 1 60 446.987 3
Hi High (pH 8-9.5) 4.03 10.45 -11.53 1 5 0 55 445.979 3
Mid Mid (pH 6-8) 4.03 12.73 -110.15 3 5 2 61 447.995 3

Activity (Go SEA)

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