UCSF

ZINC36820270

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 13 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) 2.42 4.99 -31.19 1 3 1 30 220.749 4
Hi High (pH 8-9.5) 2.42 2.6 -3.44 0 3 0 29 219.741 4

Activity (Go SEA)

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