UCSF

ZINC40466937

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 17 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) 0.97 3.55 -63.09 2 5 1 63 254.335 2
Hi High (pH 8-9.5) 0.97 3.14 -57.34 1 5 0 65 253.327 2

Activity (Go SEA)

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