UCSF

ZINC00241845

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 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) 2.30 -4.1 -11.68 1 5 0 64 299.373 5
Hi High (pH 8-9.5) 2.30 -3.52 -44.16 0 5 -1 66 298.365 5

Activity (Go SEA)

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