UCSF

ZINC42207157

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 15 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) 3.40 6.5 -6 1 2 0 36 267.17 4
Mid Mid (pH 6-8) 3.40 7.6 -55.49 2 2 1 40 268.178 4

Activity (Go SEA)

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