UCSF

ZINC21773705

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 26 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) 2.21 6.36 -14.84 2 5 0 71 361.392 7
Lo Low (pH 4.5-6) 2.21 6.65 -42.69 3 5 1 72 362.4 7

Activity (Go SEA)

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