UCSF

ZINC45704221

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) 1.08 2.85 -37.16 3 5 1 59 291.456 13
Mid Mid (pH 6-8) 1.08 3.14 -32.3 3 5 1 55 291.456 13
Lo Low (pH 4.5-6) 1.08 4.53 -111.09 4 5 2 60 292.464 13

Activity (Go SEA)

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