UCSF

ZINC09152397

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 32 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) 5.33 15.05 -39.69 2 5 0 71 428.532 9
Mid Mid (pH 6-8) 5.33 13.68 -55.95 1 5 -1 66 427.524 9

Activity (Go SEA)

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