UCSF

ZINC34884574

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 36 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) 3.01 5.16 -51.23 1 11 -1 142 485.48 3
Hi High (pH 8-9.5) 3.01 5.91 -104.21 0 11 -2 145 484.472 3
Lo Low (pH 4.5-6) 3.01 5.16 -17.24 2 11 0 143 486.488 3

Activity (Go SEA)

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