UCSF

ZINC37821686

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.06 3.9 -47.14 3 4 1 51 268.425 3
Hi High (pH 8-9.5) 2.06 4.32 -5.96 2 4 0 50 267.417 3
Mid Mid (pH 6-8) 2.06 5.75 -114.46 4 4 2 52 269.433 3

Activity (Go SEA)

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