UCSF

ZINC35851700

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 37 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) 4.31 12.74 -32.55 2 7 1 70 492.603 5
Mid Mid (pH 6-8) 4.12 12.1 -35.05 2 7 1 74 492.603 4
Mid Mid (pH 6-8) 4.31 12.59 -21.3 1 7 0 69 491.595 5
Mid Mid (pH 6-8) 4.12 14.26 -103.12 3 7 2 75 493.611 4

Activity (Go SEA)

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