UCSF

ZINC24837866

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 33 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) 3.74 8.79 -11.93 1 6 0 70 463.603 6
Hi High (pH 8-9.5) 3.74 8.83 -42.67 0 6 -1 72 462.595 6
Mid Mid (pH 6-8) 3.74 11.12 -49.81 2 6 1 71 464.611 6

Activity (Go SEA)

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