UCSF

ZINC37319725

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 3.98 11.04 -118.31 3 2 2 21 292.442 6
Mid Mid (pH 6-8) 3.98 10.44 -34.26 2 2 1 16 291.434 6

Activity (Go SEA)

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