UCSF

ZINC03552713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 27 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) 3.99 11.64 -43.82 2 6 1 64 390.577 10
Mid Mid (pH 6-8) 3.99 9.88 -10.99 1 6 0 63 389.569 10

Activity (Go SEA)

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