UCSF

ZINC08739500

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 30 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) 3.16 10.71 -76.88 1 6 0 74 408.498 8
Lo Low (pH 4.5-6) 3.16 9.88 -51.73 2 6 1 71 409.506 8

Activity (Go SEA)

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