UCSF

ZINC44684079

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 1.95 3.15 -40.5 3 3 1 40 233.335 4
Hi High (pH 8-9.5) 1.95 3.86 -31.93 2 3 0 43 232.327 4
Lo Low (pH 4.5-6) 1.95 5.57 -111.12 4 3 2 41 234.343 4
Lo Low (pH 4.5-6) 1.95 4.35 -33.15 3 3 1 37 233.335 4

Activity (Go SEA)

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