UCSF

ZINC70635542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2011 16 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) 1.58 6.59 -37.5 2 3 1 37 223.34 4
Hi High (pH 8-9.5) 1.58 5.23 -6.04 1 3 0 32 222.332 4

Activity (Go SEA)

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