UCSF

ZINC14254058

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 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) 3.81 9.09 -43.66 2 5 1 50 433.376 5
Mid Mid (pH 6-8) 3.81 6.63 -10.59 1 5 0 48 432.368 5

Activity (Go SEA)

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