UCSF

ZINC70190021

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 17 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) 2.14 8.48 -170.63 4 3 3 25 244.447 8
Mid Mid (pH 6-8) 2.14 6.24 -77.08 3 3 2 24 243.439 8
Mid Mid (pH 6-8) 2.14 6.32 -88.58 3 3 2 24 243.439 8

Activity (Go SEA)

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