UCSF

ZINC36961674

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 1.51 3.85 -109.48 4 5 2 60 284.4 8
Mid Mid (pH 6-8) 1.51 2.66 -42.93 3 5 1 59 283.392 8
Mid Mid (pH 6-8) 1.51 4.24 -23.79 3 5 1 58 283.392 8

Activity (Go SEA)

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