UCSF

ZINC37233488

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 3.85 8.1 -39.47 2 2 1 20 279.423 7
Mid Mid (pH 6-8) 3.85 8.6 -35.14 2 2 1 16 279.423 7
Lo Low (pH 4.5-6) 3.85 9.68 -124.42 3 2 2 21 280.431 7

Activity (Go SEA)

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