UCSF

ZINC02575993

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.42 2.54 -53.28 4 3 1 61 175.211 2
Mid Mid (pH 6-8) 0.42 2.15 -14.84 3 3 0 59 174.203 2

Activity (Go SEA)

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