UCSF

ZINC34677497

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 29 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) 3.18 3.99 -44.05 3 7 1 83 407.579 10
Mid Mid (pH 6-8) 3.18 1.7 -7.96 2 7 0 82 406.571 10
Lo Low (pH 4.5-6) 3.18 3.97 -42.91 3 7 1 83 407.579 10

Activity (Go SEA)

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