UCSF

ZINC29059931

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 22 No

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) 3.04 4.26 -14.64 2 6 0 88 333.394 3
Hi High (pH 8-9.5) 3.49 3.05 -48.9 1 6 -1 91 332.386 3

Activity (Go SEA)

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