UCSF

ZINC01141980

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 33 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) 3.94 -7.45 -15.68 2 9 0 120 492.575 10
Hi High (pH 8-9.5) 3.94 -6.87 -44.03 1 9 -1 122 491.567 10
Hi High (pH 8-9.5) 3.94 -6.33 -98.96 0 9 -2 124 490.559 10
Hi High (pH 8-9.5) 3.94 -6.91 -49.18 1 9 -1 122 491.567 10

Activity (Go SEA)

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