UCSF

ZINC08092784

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2006 22 No

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) 2.11 7.53 -50.35 3 5 1 63 306.43 7
Hi High (pH 8-9.5) 2.11 5.34 -17.7 2 5 0 61 305.422 7

Activity (Go SEA)

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