UCSF

ZINC32533025

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 19 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) 4.29 11.01 -7.81 0 3 0 29 255.365 2
Lo Low (pH 4.5-6) 4.29 11.32 -23.8 1 3 1 30 256.373 2
Lo Low (pH 4.5-6) 4.29 11.39 -29.22 1 3 1 30 256.373 2

Activity (Go SEA)

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