UCSF

ZINC08895266

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 37 No

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) 2.18 7.89 -56.69 0 11 -1 133 509.491 9
Mid Mid (pH 6-8) 2.63 7.32 -29.65 1 11 0 130 510.499 8

Activity (Go SEA)

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