UCSF

ZINC03323150

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 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) 3.19 8.32 -48.81 3 5 1 63 362.45 7
Hi High (pH 8-9.5) 3.19 6.1 -15.88 2 5 0 61 361.442 7

Activity (Go SEA)

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