UCSF

ZINC08837052

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 31 No

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) 2.13 7.93 -65.01 0 8 -1 101 428.461 10
Mid Mid (pH 6-8) 1.55 8.85 -15.29 0 8 0 95 429.469 10
Mid Mid (pH 6-8) 2.13 8.32 -15.21 1 8 0 98 429.469 10

Activity (Go SEA)

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