UCSF

ZINC00781579

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 34 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) 4.69 -7.14 -15.79 2 8 0 110 498.582 8
Hi High (pH 8-9.5) 4.69 -6.64 -46.44 1 8 -1 112 497.574 8
Hi High (pH 8-9.5) 4.69 -6.14 -102.32 0 8 -2 114 496.566 8

Activity (Go SEA)

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