UCSF

ZINC20011972

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 0.20 5.84 -55.51 2 6 -1 98 327.147 5
Mid Mid (pH 6-8) 0.20 6.36 -70.51 3 6 0 99 328.155 5

Activity (Go SEA)

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