UCSF

ZINC03404360

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 25 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) 4.14 9.19 -19.4 2 5 0 71 417.332 7
Mid Mid (pH 6-8) 4.14 9.04 -44.91 1 5 -1 69 416.324 7

Activity (Go SEA)

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