UCSF

ZINC06753038

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 31 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) 4.11 5.76 -16.04 3 7 0 99 421.497 9
Mid Mid (pH 6-8) 4.11 6.53 -56.3 2 7 -1 102 420.489 9

Activity (Go SEA)

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