UCSF

ZINC09152401

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 31 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) 6.23 15.6 -39.87 2 4 0 62 453.369 8
Mid Mid (pH 6-8) 6.23 14.24 -52.78 1 4 -1 57 452.361 8

Activity (Go SEA)

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