UCSF

ZINC00808099

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 21 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) 2.07 -2.08 -12.44 2 5 0 79 303.701 3
Mid Mid (pH 6-8) 1.49 -2.26 -19.58 1 5 0 76 303.701 3

Activity (Go SEA)

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