UCSF

ZINC34474936

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 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) 2.57 9.87 -40.46 1 2 1 17 253.369 3
Hi High (pH 8-9.5) 2.57 7.63 -4.93 0 2 0 16 252.361 3
Lo Low (pH 4.5-6) 2.57 10.28 -91.39 2 2 2 19 254.377 3

Activity (Go SEA)

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