UCSF

ZINC01072095

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 25 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) 3.71 -2.36 -50.67 1 6 -1 95 362.427 7
Hi High (pH 8-9.5) 3.71 -1.78 -95.48 0 6 -2 97 361.419 7

Activity (Go SEA)

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