UCSF

ZINC10112180

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 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) 3.99 -5.07 -7.76 1 4 0 55 362.27 5
Hi High (pH 8-9.5) 3.99 -4.49 -39.18 0 4 -1 57 361.262 5

Activity (Go SEA)

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