UCSF

ZINC00429950

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 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) 1.49 6.02 -54.93 2 6 -1 102 321.312 3
Mid Mid (pH 6-8) 2.79 -4.19 -13.69 3 6 0 99 322.32 3

Activity (Go SEA)

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