UCSF

ZINC37240126

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 0.32 2.07 -41.83 3 5 1 64 242.343 8
Hi High (pH 8-9.5) 0.32 0.65 -9.53 2 5 0 59 241.335 8

Activity (Go SEA)

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