UCSF

ZINC00687813

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 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) 5.07 -3.16 -16.01 2 7 0 93 474.966 7
Hi High (pH 8-9.5) 5.07 -2.58 -52.67 1 7 -1 95 473.958 7

Activity (Go SEA)

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