UCSF

ZINC05999143

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 25 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) 2.01 -0.22 -21.7 4 8 0 130 346.291 3
Hi High (pH 8-9.5) 2.01 0.59 -53.88 3 8 -1 132 345.283 3

Activity (Go SEA)

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