UCSF

ZINC03195035

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 26 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) 0.92 4.13 -59.25 1 9 -1 116 376.418 4
Mid Mid (pH 6-8) 0.92 4.44 -18.86 2 9 0 114 377.426 4

Activity (Go SEA)

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