UCSF

ZINC35208108

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 18 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) 1.20 6.1 -45.68 1 4 1 38 268.768 2
Mid Mid (pH 6-8) 1.20 3.74 -8.58 0 4 0 36 267.76 2

Activity (Go SEA)

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