UCSF

ZINC42171084

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 19 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) -1.10 4.6 -96.08 5 7 1 116 267.309 6
Mid Mid (pH 6-8) -1.10 4.1 -65.74 4 7 0 115 266.301 6

Activity (Go SEA)

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