UCSF

ZINC29057480

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 15 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) 3.04 6.41 -4.86 1 2 0 25 310.138 3
Lo Low (pH 4.5-6) 3.04 6.86 -39.32 2 2 1 26 311.146 3

Activity (Go SEA)

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