UCSF

ZINC37008645

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) -0.20 0.43 -36.8 3 5 1 58 242.343 4
Mid Mid (pH 6-8) -0.20 2.83 -95.92 4 5 2 59 243.351 4

Activity (Go SEA)

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