UCSF

ZINC35861823

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 32 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) 3.21 6.09 -53.3 3 8 1 104 444.504 10
Hi High (pH 8-9.5) 3.21 4.82 -13.53 2 8 0 99 443.496 10

Activity (Go SEA)

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