UCSF

ZINC45660398

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 0.66 7.75 -58.86 1 5 0 65 256.346 7
Lo Low (pH 4.5-6) 0.66 5.81 -39.7 2 5 1 62 257.354 7

Activity (Go SEA)

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