UCSF

ZINC18054417

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 22 No

Popular Name: amino-benzyl-BLAHthione amino-benzyl-BLAHthione

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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) 2.30 6.65 -17.74 3 4 0 58 328.466 2 ↓
Mid Mid (pH 6-8) 2.30 8.93 -70.95 4 4 1 59 329.474 2 ↓

Activity (Go SEA)

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