UCSF

ZINC36751774

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 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) 3.42 7.98 -59.67 1 4 -1 69 343.172 3
Lo Low (pH 4.5-6) 3.42 6.65 -10.35 2 4 0 66 344.18 3

Activity (Go SEA)

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