UCSF

ZINC00883888

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2004 27 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) 3.44 8.41 -29.17 3 6 1 69 368.457 6
Hi High (pH 8-9.5) 3.44 8.04 -14.12 2 6 0 68 367.449 6

Activity (Go SEA)

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