UCSF

ZINC37248646

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 14 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) 1.50 5.22 -34.53 2 2 1 16 211.354 3
Mid Mid (pH 6-8) 1.50 4.03 -39.06 2 2 1 20 211.354 3
Lo Low (pH 4.5-6) 1.50 6.41 -104.52 3 2 2 21 212.362 3

Activity (Go SEA)

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