UCSF

ZINC45699614

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 1.73 6.15 -95.1 4 4 2 51 288.476 11
Hi High (pH 8-9.5) 1.73 4.74 -34.28 3 4 1 46 287.468 11

Activity (Go SEA)

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