UCSF

ZINC18057181

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 32 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) 4.18 9.37 -14.06 1 7 0 79 495.329 4
Ref Reference (pH 7) 4.18 9.21 -9.73 1 7 0 79 495.329 4

Activity (Go SEA)

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