UCSF

ZINC37210244

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) 2.91 9.33 -77.43 3 3 2 21 283.504 7
Mid Mid (pH 6-8) 2.91 8.53 -95.7 3 3 2 24 283.504 7
Mid Mid (pH 6-8) 2.91 10.33 -193.61 4 3 3 25 284.512 7

Activity (Go SEA)

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