UCSF

ZINC45703087

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 2.80 7.28 -39.53 1 3 1 21 304.911 10
Mid Mid (pH 6-8) 2.80 9.74 -113.33 2 3 2 22 305.919 10
Mid Mid (pH 6-8) 2.80 7.58 -39.32 1 3 1 21 304.911 10

Activity (Go SEA)

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