UCSF

ZINC70505017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 19 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) 1.18 8.33 -30.89 3 2 1 30 257.401 5
Hi High (pH 8-9.5) 1.18 6.04 -1.63 2 2 0 29 256.393 5
Lo Low (pH 4.5-6) 1.18 8.64 -117.42 4 2 2 32 258.409 5

Activity (Go SEA)

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