UCSF

ZINC45950241

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 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) 2.34 6.34 -10.17 1 4 0 59 267.263 2
Mid Mid (pH 6-8) 2.80 4.47 -45.24 0 4 -1 62 266.255 2
Lo Low (pH 4.5-6) 2.34 6.8 -43.75 2 4 1 60 268.271 2

Activity (Go SEA)

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