UCSF

ZINC37102644

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.99 4.89 -33.82 2 4 1 46 243.371 6
Mid Mid (pH 6-8) 1.99 3.83 -3.55 1 4 0 42 242.363 6
Mid Mid (pH 6-8) 1.99 6.48 -36.01 2 4 1 43 243.371 6
Lo Low (pH 4.5-6) 1.99 7.3 -101.11 3 4 2 47 244.379 6

Activity (Go SEA)

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