UCSF

ZINC41202838

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 17 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) 3.18 7.79 -34.16 2 2 1 16 253.435 6
Hi High (pH 8-9.5) 3.18 5.33 -2.4 1 2 0 15 252.427 6
Lo Low (pH 4.5-6) 3.18 8.98 -111.81 3 2 2 21 254.443 6

Activity (Go SEA)

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