UCSF

ZINC69840624

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 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) 1.43 4.82 -30.13 1 4 1 26 257.398 5
Mid Mid (pH 6-8) 1.43 2.56 -3.78 0 4 0 25 256.39 5
Mid Mid (pH 6-8) 1.43 4.72 -29.79 1 4 1 26 257.398 5

Activity (Go SEA)

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