UCSF

ZINC08837387

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 32 No

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) 2.78 10.56 -74.49 1 9 0 120 439.468 8
Hi High (pH 8-9.5) 2.78 8.03 -53.45 0 9 -1 119 438.46 8
Mid Mid (pH 6-8) 2.19 1.88 -57.05 1 9 1 113 440.476 8

Activity (Go SEA)

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