UCSF

ZINC11731152

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2008 17 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) 2.04 4.69 -14.07 1 3 0 42 243.184 2
Lo Low (pH 4.5-6) 3.34 0.19 -31.86 2 3 1 44 244.192 2

Activity (Go SEA)

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