UCSF

ZINC44243313

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 2.35 1.78 -9.83 1 5 0 71 343.202 3
Hi High (pH 8-9.5) 2.35 2.53 -46.43 0 5 -1 73 342.194 3

Activity (Go SEA)

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