UCSF

ZINC03215382

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 37 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) 3.02 -3.53 -27.61 2 9 0 115 513.579 6
Hi High (pH 8-9.5) 3.02 -3.04 -67.49 1 9 -1 117 512.571 6

Activity (Go SEA)

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