UCSF

ZINC45703604

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 14 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) 1.44 2.39 -33.19 3 3 1 40 203.35 8
Mid Mid (pH 6-8) 1.44 2.9 -28.88 3 3 1 37 203.35 8
Lo Low (pH 4.5-6) 1.44 4.14 -107.3 4 3 2 41 204.358 8

Activity (Go SEA)

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