UCSF

ZINC31979033

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 0.05 5.44 -58.95 0 5 -1 70 264.301 2
Lo Low (pH 4.5-6) 0.05 4.26 -12.48 1 5 0 67 265.309 2

Activity (Go SEA)

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