UCSF

ZINC34983866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 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) 3.81 11 -21.12 1 9 0 111 514.954 4
Lo Low (pH 4.5-6) 3.81 11.46 -51.85 2 9 1 113 515.962 4

Activity (Go SEA)

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