UCSF

ZINC02791888

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 25 No

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) 2.52 8.35 -14.16 1 6 0 61 371.409 7
Mid Mid (pH 6-8) 3.24 8.19 -50.43 0 6 -1 58 370.401 7

Activity (Go SEA)

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