UCSF

ZINC10104762

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 27 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) 4.31 1.86 -11.17 0 7 0 65 367.453 4
Mid Mid (pH 6-8) 4.31 2.1 -31.4 1 7 1 66 368.461 4

Activity (Go SEA)

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