UCSF

ZINC42205221

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 0.91 2.61 -15.86 1 6 0 96 268.294 5
Hi High (pH 8-9.5) 0.91 2.42 -49.57 0 6 -1 98 267.286 5

Activity (Go SEA)

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