UCSF

ZINC35500593

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 2.34 2.5 -74.67 2 5 0 79 272.304 3
Hi High (pH 8-9.5) 1.88 3.93 -9.29 2 5 0 71 272.304 3
Hi High (pH 8-9.5) 2.34 1.31 -48.75 1 5 -1 74 271.296 3
Mid Mid (pH 6-8) 1.88 5.13 -54.58 3 5 1 76 273.312 3

Activity (Go SEA)

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