UCSF

ZINC44917561

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 28 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) -0.32 2.33 -43.32 3 9 1 95 390.464 6
Hi High (pH 8-9.5) -0.32 -0.04 -10.61 2 9 0 94 389.456 6
Mid Mid (pH 6-8) -0.32 2.23 -47.23 3 9 1 95 390.464 6

Activity (Go SEA)

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