UCSF

ZINC34222297

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 25 No

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) 5.16 9.1 -12.11 1 5 0 67 369.833 1
Ref Reference (pH 7) 5.16 9.56 -12.23 1 5 0 67 369.833 1
Mid Mid (pH 6-8) 5.61 7.75 -51 0 5 -1 70 368.825 1
Mid Mid (pH 6-8) 5.61 7.31 -49.97 0 5 -1 70 368.825 1

Activity (Go SEA)

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