UCSF

ZINC03253451

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 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) 2.80 -4.8 -24.59 2 8 0 110 444.538 8
Hi High (pH 8-9.5) 2.80 -4.22 -57.94 1 8 -1 112 443.53 8

Activity (Go SEA)

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