UCSF

ZINC00318172

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 4.32 5.8 -9.83 2 4 0 62 276.361 3
Hi High (pH 8-9.5) 4.32 6.81 -49.9 1 4 -1 65 275.353 3

Activity (Go SEA)

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