UCSF

ZINC36301572

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) 0.26 1.74 -42.55 3 5 1 62 266.365 5
Mid Mid (pH 6-8) 0.26 3.94 -102.49 4 5 2 63 267.373 5

Activity (Go SEA)

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