UCSF

ZINC37140860

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 2.04 8.1 -37.13 2 3 1 40 256.373 4
Mid Mid (pH 6-8) 2.04 7.09 -51.68 2 3 1 44 256.373 4

Activity (Go SEA)

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