UCSF

ZINC44242729

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 21 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) 2.20 1.91 -44.86 2 6 -1 100 384.26 3
Mid Mid (pH 6-8) 3.12 2.23 -10.76 3 6 0 101 385.268 2
Lo Low (pH 4.5-6) 2.20 1.76 -31.37 4 6 1 99 386.276 3

Activity (Go SEA)

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