UCSF

ZINC45692775

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) 4.11 9.51 -31.31 2 2 1 20 275.46 8
Mid Mid (pH 6-8) 4.11 10.1 -32.18 2 2 1 16 275.46 8
Lo Low (pH 4.5-6) 4.11 10.99 -109.06 3 2 2 21 276.468 8

Activity (Go SEA)

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