UCSF

ZINC43284671

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 20 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) 1.56 4.51 -53.36 3 4 1 51 361.329 4
Hi High (pH 8-9.5) 1.56 4.18 -8.69 2 4 0 50 360.321 4
Lo Low (pH 4.5-6) 1.56 6.16 -130.53 4 4 2 52 362.337 4

Activity (Go SEA)

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