UCSF

ZINC37265320

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) 4.56 10.64 -55.64 0 4 -1 58 287.383 6
Mid Mid (pH 6-8) 4.56 11.07 -49.85 1 4 0 59 288.391 6

Activity (Go SEA)

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