UCSF

ZINC37145620

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 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) 3.08 6.01 -5.7 0 3 0 36 250.386 2
Mid Mid (pH 6-8) 3.08 7.5 -47.04 1 3 1 37 251.394 2

Activity (Go SEA)

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