UCSF

ZINC02987371

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 29 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) 2.42 3.41 -45.05 1 10 -1 150 396.335 7
Mid Mid (pH 6-8) 2.42 3.4 -46.57 1 10 -1 150 396.335 7

Activity (Go SEA)

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