UCSF

ZINC29656177

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2009 23 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) 3.65 7.26 -16.13 2 4 0 56 306.365 1
Hi High (pH 8-9.5) 3.65 8.21 -60.88 1 4 -1 59 305.357 1

Activity (Go SEA)

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