UCSF

ZINC14534874

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 30 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) 3.89 10.12 -11.2 2 7 0 85 406.486 6
Lo Low (pH 4.5-6) 3.89 10.4 -34.11 3 7 1 87 407.494 6

Activity (Go SEA)

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