UCSF

ZINC02498617

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 23 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) 3.65 2.16 -45.44 1 2 1 17 303.429 7
Lo Low (pH 4.5-6) 3.65 2.27 -109.91 2 2 2 18 304.437 7

Activity (Go SEA)

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