UCSF

ZINC20057909

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 3.57 12.53 -73.26 1 8 0 111 437.496 9
Hi High (pH 8-9.5) 3.57 10.31 -55.75 0 8 -1 109 436.488 9

Activity (Go SEA)

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