UCSF

ZINC52305440

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 17 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) 4.12 7.09 -4.03 0 2 0 18 323.137 2
Mid Mid (pH 6-8) 4.12 7.63 -32.83 0 2 -1 18 322.129 2

Activity (Go SEA)

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