UCSF

ZINC37141636

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 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) 2.98 7.09 -35.36 2 2 1 16 265.343 3
Mid Mid (pH 6-8) 2.98 5.63 -41.09 2 2 1 20 265.343 3
Lo Low (pH 4.5-6) 2.98 8.01 -107.95 3 2 2 21 266.351 3

Activity (Go SEA)

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